1,3,4-tributyl-2H-imidazole

C15H30N2 — CID 175020542

IUPAC1,3,4-tributyl-2H-imidazole
SMILESCCCCC1=CN(CCCC)CN1CCCC
InChIInChI=1S/C15H30N2/c1-4-7-10-15-13-16(11-8-5-2)14-17(15)12-9-6-3/h13H,4-12,14H2,1-3H3
InChIKeyRWTLXVOSAQRMIY-UHFFFAOYSA-N
MW238.42 g/mol
LogP4.19
Rot. Bonds9

About 1,3,4-tributyl-2H-imidazole

1,3,4-tributyl-2H-imidazole (PubChem CID 175020542) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1,3,4-tributyl-2H-imidazole.

Molecular Properties

Compound Name1,3,4-tributyl-2H-imidazole
PubChem CID175020542
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1,3,4-tributyl-2H-imidazole
SMILESCCCCC1=CN(CCCC)CN1CCCC
InChIInChI=1S/C15H30N2/c1-4-7-10-15-13-16(11-8-5-2)14-17(15)12-9-6-3/h13H,4-12,14H2,1-3H3
InChIKeyRWTLXVOSAQRMIY-UHFFFAOYSA-N
XLogP4.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3,4-tributyl-2H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,4-triethyl-2-methyl-2H-imidazole
CID 21977213
3,4-diethyl-1-methyl-2H-imidazole
CID 21977214
1,4-diethyl-3-methyl-2H-imidazole
CID 21977233
1,4-diethyl-2,3-dimethyl-2H-imidazole
CID 21977240
2,4-diethyl-1,3-dimethyl-2H-imidazole
CID 21977248
1,2-diethyl-3,4-dimethyl-2H-imidazole
CID 21977266
2,3,4-triethyl-1-methyl-2H-imidazole
CID 21977269
1,2,3-triethyl-4-methyl-2H-imidazole
CID 21977281
1,2,3,4-tetraethyl-2H-imidazole
CID 21977287
2-ethyl-1,3,4-trimethyl-2H-imidazole
CID 21977297
3,4-diethyl-1,2-dimethyl-2H-imidazole
CID 21977314
1,3,4-triethyl-2H-imidazole
CID 21977318

Frequently Asked Questions

What is the IUPAC name of 1,3,4-tributyl-2H-imidazole?
The IUPAC name of 1,3,4-tributyl-2H-imidazole (CID 175020542) is 1,3,4-tributyl-2H-imidazole.
What is the SMILES notation for 1,3,4-tributyl-2H-imidazole?
The canonical SMILES for 1,3,4-tributyl-2H-imidazole is CCCCC1=CN(CCCC)CN1CCCC.
What is the InChIKey of 1,3,4-tributyl-2H-imidazole?
The InChIKey is RWTLXVOSAQRMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-7-10-15-13-16(11-8-5-2)14-17(15)12-9-6-3/h13H,4-12,14H2,1-3H3.
What are the key properties of 1,3,4-tributyl-2H-imidazole?
1,3,4-tributyl-2H-imidazole has a molecular weight of 238.42 g/mol, XLogP of 4.19, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-tributyl-2H-imidazole is sourced from PubChem (CID 175020542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).